methyl 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4)N

InChI

InChI=1S/C21H19N5O5S/c1-12-8-17(22)24-26(12)18(27)11-32-21-23-16-9-13(20(29)30-2)5-6-15(16)19(28)25(21)10-14-4-3-7-31-14/h3-9H,10-11H2,1-2H3,(H2,22,24)